Information card for entry 4317729

Structure parameters

• Chemical name: tetrakis(m^2-2,4,6-triisopropylbenzoato-O, O') dimolybdenum (II,III) hexafluorophosphate, dichloromethane solvate
• Formula: C66 H96 Cl4 F6 Mo2 O8 P
• Calculated formula: C66 H96 Cl4 F6 Mo2 O8 P
• Title of publication: Filling a Void: Isolation and Characterization of Tetracarboxylato Dimolybdenum Cations
• Authors of publication: F. Albert Cotton; Lee M. Daniels; Elizabeth A. Hillard; Carlos A. Murillo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1639 - 1644
• a: 9.4884 ± 0.0006 Å
• b: 18.7567 ± 0.0013 Å
• c: 20.4283 ± 0.0014 Å
• α: 90°
• β: 98.319 ± 0.002°
• γ: 90°
• Cell volume: 3597.4 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1334
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections: 0.1337
• Weighted residual factors for significantly intense reflections: 0.1026
• Goodness-of-fit parameter for all reflections: 0.935
• Goodness-of-fit parameter for significantly intense reflections: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No